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Information card for entry 4123827
Preview
| Coordinates | 4123827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Cl3 N2 O5 S |
|---|---|
| Calculated formula | C19 H21 Cl3 N2 O5 S |
| Title of publication | Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines. |
| Authors of publication | Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 24 |
| Pages of publication | 7915 - 7920 |
| a | 5.3403 ± 0.0001 Å |
| b | 12.4724 ± 0.0002 Å |
| c | 17.188 ± 0.0003 Å |
| α | 90° |
| β | 91.564 ± 0.002° |
| γ | 90° |
| Cell volume | 1144.4 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 140122 (current) | 2015-07-05 | cif/ Updating files of 4123827, 4123828 Original log message: Adding full bibliography for 4123827--4123828.cif. |
4123827.cif |
| 139224 | 2015-06-16 | cif/ Adding structures of 4123827 via cif-deposit CGI script. |
4123827.cif |
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Users of the data should acknowledge the original authors of the
structural data.